tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate

C14H25N3O2 — CID 130466053

IUPACtert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate
SMILESCN(C)/C=C(\C#N)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)19-12(18)16-14(4,5)8-11(9-15)10-17(6)7/h10H,8H2,1-7H3,(H,16,18)/b11-10-
InChIKeyFLPFIUYQPNGTGE-KHPPLWFESA-N
MW267.37 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate

tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate (PubChem CID 130466053) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate
PubChem CID130466053
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate
SMILESCN(C)/C=C(\C#N)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)19-12(18)16-14(4,5)8-11(9-15)10-17(6)7/h10H,8H2,1-7H3,(H,16,18)/b11-10-
InChIKeyFLPFIUYQPNGTGE-KHPPLWFESA-N
XLogP2.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

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CID 11788901
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CID 15384249
(3R)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10966249
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-(3-cyanopentan-3-yl)carbamate
CID 47002795
tert-butyl N-(3-cyano-1,5-dimethoxypentan-3-yl)carbamate
CID 90052280
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
tert-butyl N-[(2E,4E)-4-cyano-2-methylhexa-2,4-dienyl]carbamate
CID 170299111
(2S)-5-cyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid
CID 173227029
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
tert-butyl N-(2-methyl-4-prop-2-ynoxybutan-2-yl)carbamate
CID 138727508
tert-butyl N-[(Z)-7-bromo-2-methylhept-4-en-2-yl]carbamate
CID 59906728

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate (CID 130466053) is tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate is CN(C)/C=C(\C#N)CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate?
The InChIKey is FLPFIUYQPNGTGE-KHPPLWFESA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)19-12(18)16-14(4,5)8-11(9-15)10-17(6)7/h10H,8H2,1-7H3,(H,16,18)/b11-10-.
What are the key properties of tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate?
tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 130466053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).